(S)-1H-benzimidazol-2-yl-(4-methylphenyl)methanol

C15H14N2O — CID 166630588

IUPAC(S)-1H-benzimidazol-2-yl-(4-methylphenyl)methanol
SMILESCc1ccc([C@H](O)c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C15H14N2O/c1-10-6-8-11(9-7-10)14(18)15-16-12-4-2-3-5-13(12)17-15/h2-9,14,18H,1H3,(H,16,17)/t14-/m0/s1
InChIKeyMTBVDKYCHKBUSK-AWEZNQCLSA-N
MW238.29 g/mol
LogP2.95
Rot. Bonds2

About (S)-1H-benzimidazol-2-yl-(4-methylphenyl)methanol

(S)-1H-benzimidazol-2-yl-(4-methylphenyl)methanol (PubChem CID 166630588) has the molecular formula C15H14N2O and a molecular weight of 238.29 g/mol. Its IUPAC name is (S)-1H-benzimidazol-2-yl-(4-methylphenyl)methanol.

Molecular Properties

Compound Name(S)-1H-benzimidazol-2-yl-(4-methylphenyl)methanol
PubChem CID166630588
Molecular FormulaC15H14N2O
Molecular Weight238.29 g/mol
Exact Mass238.11
IUPAC Name(S)-1H-benzimidazol-2-yl-(4-methylphenyl)methanol
SMILESCc1ccc([C@H](O)c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C15H14N2O/c1-10-6-8-11(9-7-10)14(18)15-16-12-4-2-3-5-13(12)17-15/h2-9,14,18H,1H3,(H,16,17)/t14-/m0/s1
InChIKeyMTBVDKYCHKBUSK-AWEZNQCLSA-N
XLogP2.95
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (S)-1H-benzimidazol-2-yl-(4-methylphenyl)methanol?
The IUPAC name of (S)-1H-benzimidazol-2-yl-(4-methylphenyl)methanol (CID 166630588) is (S)-1H-benzimidazol-2-yl-(4-methylphenyl)methanol.
What is the SMILES notation for (S)-1H-benzimidazol-2-yl-(4-methylphenyl)methanol?
The canonical SMILES for (S)-1H-benzimidazol-2-yl-(4-methylphenyl)methanol is Cc1ccc([C@H](O)c2nc3ccccc3[nH]2)cc1.
What is the InChIKey of (S)-1H-benzimidazol-2-yl-(4-methylphenyl)methanol?
The InChIKey is MTBVDKYCHKBUSK-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H14N2O/c1-10-6-8-11(9-7-10)14(18)15-16-12-4-2-3-5-13(12)17-15/h2-9,14,18H,1H3,(H,16,17)/t14-/m0/s1.
What are the key properties of (S)-1H-benzimidazol-2-yl-(4-methylphenyl)methanol?
(S)-1H-benzimidazol-2-yl-(4-methylphenyl)methanol has a molecular weight of 238.29 g/mol, XLogP of 2.95, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-1H-benzimidazol-2-yl-(4-methylphenyl)methanol is sourced from PubChem (CID 166630588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).